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physics.chem-ph2023
Coordinate Descent Full Configuration Interaction for Excited States
Zhe Wang, Zhiyuan Zhang, Jianfeng Lu +1
An efficient excited state method, named xCDFCI, in the configuration interaction framework, is proposed. xCDFCI extends the unconstrained nonconvex optimization problem in coordin…
physics.chem-ph2022★ 2 cited
Improving the Accuracy of Variational Quantum Eigensolvers With Fewer Qubits Using Orbital Optimization
Joel Bierman, Yingzhou Li, Jianfeng Lu
Near-term quantum computers will be limited in the number of qubits on which they can process information as well as the depth of the circuits that they can coherently carry out. T…